4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-6-methyl-phenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-hydroxy-1-piperidyl)methyl]-2-thienyl]quinoline-3-carbonitrile CAS Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-2-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(4-bromo-2-chloro-6-methylanilino)-7-[5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(4-bromo-2-chloro-6-methyl-anilino)-7-[5-[(4-hydroxypiperidino)methyl]-2-thienyl]quinoline-3-carbonitrile Formula: C27H24BrClN4OS MolecularWeight: 567.92766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCC(CC5)O)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(S4)CN5CCC(CC5)O)Cl)Br

InChI

InChI=1S/C27H24BrClN4OS/c1-16-10-19(28)12-23(29)26(16)32-27-18(13-30)14-31-24-11-17(2-4-22(24)27)25-5-3-21(35-25)15-33-8-6-20(34)7-9-33/h2-5,10-12,14,20,34H,6-9,15H2,1H3,(H,31,32)